1C0M

CRYSTAL STRUCTURE OF RSV TWO-DOMAIN INTEGRASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	95
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	55.752, 66.369, 76.670
Unit cell angles	67.47, 78.61, 90.18

Refinement procedure

Resolution	15.000 - 2.530
R-factor	0.216
Rwork	0.216
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A POLYALANINE 1C1A INITIAL MODEL BUILT FROM 3.2A MAD PHASED MAP WITHOUT RESIDUES 200-220
RMSD bond length	0.007
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.036	0.096
Number of reflections	28842
<I/σ(I)>	18.3	5.4
Completeness [%]	87.6	75.7
Redundancy	1.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	277	PLATE-SHAPED CRYSTALS WERE INFREQUENTLY GROWN BY HANGING DROP VAPOR DIFFUSION METHOD. RESERVOIR SOLUTION CONTAINED 0.050M KCL, 0.01M MGCL2, 0.05M SODIUM CACODYLATE, PH 7.0, 10% PEG 3350, and 20% (V/V) ETHYLENE GLYCOL. THE DROP CONTAINED 1:1 MIXTURE OF RESERVOIR SOLUTION AND PROTEIN (10-15 MG/ML), HANGING DROP VAPOR DIFFUSION METHOD, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.05 (M)
2	1	reservoir		0.01 (M)
3	1	reservoir	sodium cacodylate	0.05 (M)
4	1	reservoir	PEG3350	10 (%(w/v))
5	1	reservoir	ethylene glycol	25 (%(v/v))